SCHEMBL27965768

SCHEMBL27965768

CCC1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GPR119 Q8TDV5 11/20 0.42
MET P08581 1/20 0.41
RAB9A P51151 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14924381 1.00 MAPT (0.47) MAPTALDH1A1LMNAGPR119MET
SCHEMBL29741999 1.00 MAPT (0.47) MAPTALDH1A1LMNAGPR119MET
SCHEMBL19441886 0.91 GPR119 (0.42) MAPTALDH1A1LMNAGPR119MET
SCHEMBL29731850 0.87 GPR119 (0.50) MAPTALDH1A1LMNAGPR119MET
SCHEMBL29741983 0.87 GPR119 (0.50) MAPTALDH1A1LMNAGPR119MET
SCHEMBL22802474 0.87 GPR119 (0.50) MAPTALDH1A1LMNAGPR119MET
SCHEMBL14924375 0.87 GPR119 (0.50) MAPTALDH1A1LMNAGPR119MET
SCHEMBL30512281 0.87 GPR119 (0.50) MAPTALDH1A1LMNAGPR119MET
SCHEMBL14925849 0.87 GPR119 (0.50) MAPTALDH1A1LMNAGPR119MET
SCHEMBL14914399 0.86 CHRNB2 (0.47) MAPTALDH1A1LMNARAB9ACHRNB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011348-B Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity 霍夫曼-拉罗奇有限公司 2020-01-10 CN disclosed
CN-104203937-A 8-fluorophthalazin-1 (2h) - one compounds as inhibitors of btk activity HOFFMANN LA ROCHE 2014-12-10 CN disclosed
CN-104125959-A Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity HOFFMANN LA ROCHE 2014-10-29 CN disclosed